Jonathan,
First, a question: I know that certain values of sc-alpha are preferred for
different cases, but are there any values that definitely should not be used?
In my calculations, some hydrogens (with charges but no L-J) are mutated into
united atom methyls (with charges and L-J), so the
This is a follow-up from my post in January regarding my attempts to reproduce
some free energy of solvation calculations for modified cellulose oligomers.
First, a question: I know that certain values of sc-alpha are preferred for
different cases, but are there any values that definitely shoul
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